Geometry & MOs

Info

ID:	262828
PubChem CID:	103321248
Reduced:	ClOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	308.04986
ΔH_f, kcal/mol:	43.23
Dipole, Da:	5.37
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCNC2=C3C=CSC3=NC(=N2)Cl

DOS

IR

Vibrations